3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H26N2O2 — CID 103534890

IUPAC3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCOC1CN(CC2NCC3CCCC32)CC1OC
InChIInChI=1S/C14H26N2O2/c1-17-13-8-16(9-14(13)18-2)7-12-11-5-3-4-10(11)6-15-12/h10-15H,3-9H2,1-2H3
InChIKeyWWKYVIGYXGJIMT-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.72
Rot. Bonds4

About 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 103534890) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID103534890
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCOC1CN(CC2NCC3CCCC32)CC1OC
InChIInChI=1S/C14H26N2O2/c1-17-13-8-16(9-14(13)18-2)7-12-11-5-3-4-10(11)6-15-12/h10-15H,3-9H2,1-2H3
InChIKeyWWKYVIGYXGJIMT-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole with MolForge

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 102894533
3-[(4-ethoxypiperidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894327
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894714
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894537
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894376
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560366
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102894647
3-(fluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 84718322
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 103534890) is 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is COC1CN(CC2NCC3CCCC32)CC1OC.
What is the InChIKey of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is WWKYVIGYXGJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-17-13-8-16(9-14(13)18-2)7-12-11-5-3-4-10(11)6-15-12/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 254.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 103534890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).